0  B7R0.4  CC(C)CCCCBr SBB008833 [1,0,0,0,0,0|2,0,1]=4
1  B7R0.8  CNCCC(C)(C)C SBB080385 [1,0,0,0,0,0|2,0,1]=4
2  B9R0.56  CC(=O)OCC[N+](C)(C)C SBB058711 [0,1,0,0,0,0|2,0,0]=3
3  B9R0.56  CC(C)(C)NCCC(N)=O SBB116748 [0,1,0,0,0,0|3,0,0]=4
4  B9R0.56  CC(C)(C)SCCC(=O)O SBB019266 [0,1,0,0,0,0|3,0,0]=4
5  B9R0.56  C[N+](C)(C)CCOC(N)=O SBB057998 [0,1,0,0,0,0|2,0,0]=3
6  B9R1.66  CC1(C)CC(=O)CCO1 SBB048828 [0,0,0,1,0,0|3,0,0]=4
7  B9R1.133  CC1(C)OC[C@H](C=O)O1 SBB052344 [0,0,0,1,0,0|2,1,0]=4
8  B6R0.4  C=COCC(C)C SBB060157 [2,0,0,0,0,0|1,0,0]=3
9  B6R0.4  CC(C)COC=O SBB061244 [2,0,0,0,0,0|0,0,0]=2
10  B6R0.6  C=CCCCCC SBB059882 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.6  CCCCNC=O SBB060026 [2,0,0,0,0,0|1,0,0]=3
12  B6R0.6  CCCCOC=O SBB060300 [2,0,0,0,0,0|0,0,0]=2
13  B6R0.6  CCC\C=C\C=O SBB067097 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.5  CC(C)(C)CCCl SBB059953 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.5  CC(C)(C)CCN SBB059532 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.5  CC(C)(C)ON=O SBB007659 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.5  CCCC(C)(C)N SBB052122 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.5  C[N+](C)(C)CCO SBB060960 [2,0,0,0,0,0|2,0,0]=4
19  B8R0.7  CC(=O)CCCOC=O SBB001557 [1,1,0,0,0,0|0,1,1]=4
20  B8R0.28  CC(=O)OCCC(C)C SBB040873 [1,1,0,0,0,0|0,0,0]=2
21  B8R0.28  CC(C)CCCC(=O)O SBB072713 [1,1,0,0,0,0|1,0,0]=3
22  B8R0.28  OC(=O)CCCN(C)C SBB005767 [1,1,0,0,0,0|2,0,0]=4
23  B8R0.28  [NH+](C)(C)CCCC(=O)O SBB058463 [1,1,0,0,0,0|2,0,0]=4
24  B8R0.29  CC(C)(N)CCC(=O)O SBB019066 [1,1,0,0,0,0|1,0,0]=3
25  B10R0.31  CC(CC(=O)Cl)CC(C)(C)C SBB061670 [0,2,0,0,0,0|2,0,0]=4
26  B10R0.31  CC(CC(=O)O)CC(C)(C)C SBB005782 [0,2,0,0,0,0|2,0,0]=4
27  B8R1.19  CC1(Br)CCOC1=O SBB057373 [1,0,0,1,0,0|1,0,0]=3
28  B8R1.72  CC1(C)CCOCO1 SBB060068 [1,0,0,1,0,0|0,0,2]=4
29  B10R1.329  CC1=NC(C)(C)CC(C)O1 SBB116853 [0,1,0,1,0,0|2,0,0]=4